Year: 2015
Author: Yanjie Wang, Xinguo Liu, Hongzheng Li, Qi Li, Jiawu Chen, Qinggang Zhang
Journal of Atomic and Molecular Sciences, Vol. 6 (2015), Iss. 4 : pp. 254–262
Abstract
The vector correlations between products and reagents for the chemical reactions $O^++H_2/D_2/T_2$ at different collision energies (1.0eV-2.8eV) have been studied by means of the quasi-classical trajectory (QCT) method based on the RODRIGO potential energy surface(PES) [Rodrigo et al 2004 J. Chem. Phys. 120 4705]. The four generalized polarization-dependent differential cross-sections (PDDCSs)$(2\pi/σ)(dσ_{00}/dω_t),$ $(2\pi/σ)(dσ_{20}/dω_t),$ $(2\pi/σ)(dσ_{22+}/dω_t)$ and $(2\pi/σ)(dσ_{21-}/dω_t)$ have also been calculated at seven different collision energies respectively. The isotope effect comparing with the effect of collision energies has been discussed further. The results indicate that the reaction is sensitive to the mass factors. Meanwhile the collision energies have a greater effect than the mass factors.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/jams.091815.102515a
Journal of Atomic and Molecular Sciences, Vol. 6 (2015), Iss. 4 : pp. 254–262
Published online: 2015-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 9
Keywords: Stereodynamics Vector correlation Quasi-classical trajectory method Polarization-dependent differential cross-section Isotope effect.